2,5-bis(benzo[1,3]d...

2,5-bis(benzo[1,3]dioxol-5-ylmethylidene)cyclopentan-1-one 5447-52-9

2,5-bis(benzo[1,3]dioxol-5-ylmethylidene)cyclopentan-1-one 5447-52-9

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1 Kilogram

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  • Min.Order :1 Kilogram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

2,5-bis(benzo[1,3]dioxol-5-ylmethylidene)cyclopentan-1-one 5447-52-9 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentanone
【Iupac name】
2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
【CAS Registry number】
5447-52-9
【Synonyms】
2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
Maybridge1_003565
AC1L5EE7
CBDivE_001205
5447-52-9
【Molecular Formula】
C21H16O5 (Products with the same molecular formula)
【Molecular Weight】
348.3487
【Inchi】
InChI=1/C21H16O5/c22-21-15(7-13-1-5-17-19(9-13)25-11-23-17)3-4-16(21)8-14-2-6-18-20(10-14)26-12-24-18/h1-2,5-10H,3-4,11-12H2
【Canonical SMILES】
C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C1=CC4=CC5=C(C=C4)OCO5
【MOL File】
5447-52-9.mol
Chemical and Physical Properties
【Density】
1.432g/cm3
【Boiling Point】
572.5°C at 760 mmHg
【Refractive Index】
1.727
【Flash Point】
253.7°C
【Computed Properties】
Molecular Weight:348.34874 [g/mol]
Molecular Formula:C21H16O5
XLogP3-AA:4.1
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:2
Exact Mass:348.099774
MonoIsotopic Mass:348.099774
Topological Polar Surface Area:54
Heavy Atom Count:26
Formal Charge:0
Complexity:572
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Ring Count:5
Effective Rotor Count:3.6
Conformer Sampling RMSD:0.8
CID Conformer Count:7

 

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